methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate

C12H15ClN2O4 — CID 103878988

IUPACmethyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C12H15ClN2O4/c1-7-3-4-8(5-9(7)13)15-12(18)14-6-10(16)11(17)19-2/h3-5,10,16H,6H2,1-2H3,(H2,14,15,18)
InChIKeyKYYXVQOYUZTSBJ-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.30
Rot. Bonds4

About methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate

methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate (PubChem CID 103878988) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate
PubChem CID103878988
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Namemethyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C12H15ClN2O4/c1-7-3-4-8(5-9(7)13)15-12(18)14-6-10(16)11(17)19-2/h3-5,10,16H,6H2,1-2H3,(H2,14,15,18)
InChIKeyKYYXVQOYUZTSBJ-UHFFFAOYSA-N
XLogP1.30
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea
CID 63733150
methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 51940999
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-(2-amino-2-sulfanylideneethyl)-3-(3-chloro-4-methylphenyl)urea
CID 61127307
1-(3-chloro-4-methylphenyl)-3-(3-oxobutyl)urea
CID 108894961
methyl 3-(3-chloro-4-methylanilino)-2-methylpropanoate
CID 43538373
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
2-[(3-chloro-4-methylphenyl)carbamoylamino]oxyacetic acid
CID 63914922
1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
CID 108888748
1-(3-amino-2,2-difluoropropyl)-3-(3-chloro-4-methylphenyl)urea
CID 114383867

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate (CID 103878988) is methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate?
The InChIKey is KYYXVQOYUZTSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-7-3-4-8(5-9(7)13)15-12(18)14-6-10(16)11(17)19-2/h3-5,10,16H,6H2,1-2H3,(H2,14,15,18).
What are the key properties of methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate?
methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate has a molecular weight of 286.72 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate is sourced from PubChem (CID 103878988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).